1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid

C23H25N3O3 — CID 70710195

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
SMILESCCc1ncc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)O)CC2)cn1
InChIInChI=1S/C23H25N3O3/c1-2-21-24-14-17(15-25-21)16-26-11-9-23(10-12-26,22(27)28)29-20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28)
InChIKeyZZCAMLOOSLKHPU-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.69
Rot. Bonds6

About 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid

1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid (PubChem CID 70710195) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
PubChem CID70710195
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
SMILESCCc1ncc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)O)CC2)cn1
InChIInChI=1S/C23H25N3O3/c1-2-21-24-14-17(15-25-21)16-26-11-9-23(10-12-26,22(27)28)29-20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28)
InChIKeyZZCAMLOOSLKHPU-UHFFFAOYSA-N
XLogP3.69
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
4-naphthalen-2-yloxy-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70774741
1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 70718212
1-[(4-cyano-5-methyl-1H-pyrrol-2-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70719777
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 124751059
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-[(4-cyanophenyl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 56892141
4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 56894887
4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid
CID 56892945
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-phenoxypiperidine-4-carboxylic acid
CID 70786667
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
CID 70736479

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid (CID 70710195) is 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid is CCc1ncc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid?
The InChIKey is ZZCAMLOOSLKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-21-24-14-17(15-25-21)16-26-11-9-23(10-12-26,22(27)28)29-20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid?
1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid is sourced from PubChem (CID 70710195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).